SCHEMBL9219735

SCHEMBL9219735

COc1ccccc1CCNC(=NC#N)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MPO P05164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9211745 0.87 KMT2A (0.51) MTNR1AMTNR1BMEN1KMT2ACNR1
SCHEMBL9219731 0.78 HTR1A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9219729 0.78 HTR1A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16712965 0.72 ROCK2 (0.66) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL9214854 0.71 KDM4E (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9213657 0.70 RAB9A (0.48) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL8750753 0.69 P2RX7 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1568381 0.68 HDAC1 (0.72) KMT2AHPGDMAPTALDH1A1KDM4E
SCHEMBL25212814 0.68 MAPK10 (0.57) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL1010724 0.68 MTNR1A (1.00) MTNR1AMTNR1BCNR1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed