SCHEMBL8964014

SCHEMBL8964014

Cc1[nH]c(-c2ccccc2Cl)nc1C(O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SLC9A1 P19634 2/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PTGES O14684 4/20 0.41
GUSB P08236 1/20 0.40
DCUN1D1 Q96GG9 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
PIM1 P11309 2/20 0.36

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
SCHEMBL8963780 0.85 NPC1 (0.46) GAAMGAMSIMGAM2SLC9A1
Hydrochloric Acid SCHEMBL8963845 0.83 MGAM (0.46) GAAMGAMSIMGAM2SLC9A1
Hydrochloric Acid SCHEMBL8963889 0.82 MGAM (0.48) GAAMGAMSIMGAM2SLC9A1
SCHEMBL8963835 0.81 L3MBTL1 (0.52) GAASLC9A1ALDH1A1DCUN1D1PARP1
SCHEMBL8963907 0.81 TRPA1 (0.34) GAAMGAMSIMGAM2SLC9A1
SCHEMBL8963701 0.79 PIN1 (0.51) GAASLC9A1NPC1RAB9AKDM4E
SCHEMBL8963493 0.77 MAPK1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8963778 0.75 PIN1 (0.56) GAAMGAMSIMGAM2SLC9A1
SCHEMBL23758280 0.75 MGAM (0.55) GAAMGAMSIMGAM2SLC9A1
Hydrochloric Acid SCHEMBL8963544 0.74 SLC6A4 (0.39) GAAMGAMSIMGAM2SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed