SCHEMBL1829762

SCHEMBL1829762

c1ccc(CCNOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
IDO1 P14902 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6436425 0.98 GAA (0.50) NPC1RAB9ATSHRSMN1; SMN2ATM
SCHEMBL10693909 0.88 SIGMAR1 (0.57) BCHESIGMAR1L3MBTL1
SCHEMBL15279365 0.86 BCHE (0.61) NPC1RAB9AATMTAAR1ALDH1A1
SCHEMBL11996781 0.85 EPHX1 (0.49) NPC1RAB9ASMN1; SMN2ATMTAAR1
SCHEMBL437919 0.83 MAOA (0.48) NPC1RAB9ATSHRIDO1MAOA
SCHEMBL10948517 0.81 NPC1 (0.47) NPC1RAB9ATSHRSMN1; SMN2TAAR1
SCHEMBL8150074 0.81 HRAS (0.50) NPC1RAB9ATSHRSMN1; SMN2LMNA
SCHEMBL1240611 0.81 HRAS (0.46) NPC1RAB9ATSHRATMTAAR1
SCHEMBL17805686 0.81 HRAS (0.46) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL1258404 0.81 ATM (0.54) NPC1RAB9ATSHRSMN1; SMN2ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061227-A Environment-friendly ritodrine hydrochloride production method GUANGDONG XIANQIANG PHARMACEUTICAL CO LTD 2015-11-18 CN claimed
CN-105061227-A Environment-friendly ritodrine hydrochloride production method GUANGDONG XIANQIANG PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed
EP-2318126-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-11 EP disclosed
WO-2010006196-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 WO disclosed
EP-0927049-B1 LABELLED ELASTASE INHIBITORS AMERSHAM PLC (GB) 2005-05-11 EP disclosed
US-6375926-B1 HUMAN LEUCOCYTE ELASTASE (HLE) INHIBITOR LABELLED WITH A DETECTABLE MOIETY WHERE THE INHIBITOR IS SYNTHETIC AND THE DETECTABLE MOIETY IS CHOSEN FROM A RADIOACTIVE ISOTOPE, A PARAMAGNETIC ION, A RADIOPAQUE COMPOUND AND AN ULTRASOUND AMERSHAM INTERNATIONAL PLC 2002-04-23 US disclosed
EP-0927049-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL plc (GB) 1999-07-07 EP disclosed
WO-1998010800-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL PLC (GB) 1998-03-19 WO disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed