SCHEMBL8968401

SCHEMBL8968401

CC1(C)c2c(Cl)cccc2N=C2C3CCC(C3)N21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.34
OPRL1 P41146 11/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSD P07339 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL8970324 0.75 MAT2A (0.33) OPRM1CTSD
SCHEMBL8969558 0.74 LMNA (0.31) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8970030 0.71 CTSD (0.50) OPRM1OPRL1LMNACYP1A2CYP3A4
SCHEMBL8969496 0.62 HTR2C (0.36) OPRM1OPRL1LMNACYP1A2CYP3A4
SCHEMBL8969213 0.62 ACHE (0.40) OPRM1OPRL1NPC1ALDH1A1RAB9A
SCHEMBL8969087 0.60 AVPR1A (0.33)
SCHEMBL8969282 0.60 CTSD (0.34) OPRM1OPRL1LMNACYP1A2CYP3A4
SCHEMBL8970388 0.60 CTSD (0.33) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8969903 0.59 PDE3B (0.45) OPRM1OPRL1LMNACYP1A2CYP3A4
SCHEMBL8969218 0.59 OPRM1 (0.31) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed