SCHEMBL989796

SCHEMBL989796

Clc1ccc(CCNNc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
CNR1 P21554 11/20 0.51
IDO1 P14902 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL990628 0.91 CNR1 (0.57) TAAR1CNR1IDO1MAPTLMNA
SCHEMBL989861 0.91 CNR1 (0.57) TAAR1CNR1IDO1MAPTLMNA
Hydrochloric Acid SCHEMBL10770594 0.89 MAPT (0.56) TAAR1CNR1IDO1MAPTLMNA
SCHEMBL990693 0.81 GAA (0.47) TAAR1CNR1LMNASMN1; SMN2NPC1
SCHEMBL1120535 0.80 SMN1; SMN2 (0.57) CNR1MAPTLMNASMN1; SMN2NPC1
SCHEMBL989911 0.79 TAAR1 (0.55) TAAR1CNR1MAPTLMNAALOX12
Hydrochloric Acid SCHEMBL10514498 0.77 MEN1 (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5681339 0.75 TAAR1 (0.67) TAAR1CNR1IDO1MAPTLMNA
SCHEMBL6237452 0.74 L3MBTL1 (0.59) TAAR1IDO1MAPTLMNASMN1; SMN2
SCHEMBL9524582 0.72 ALDH1A1 (0.45) LMNASMN1; SMN2NPC1RAB9AMEN1

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
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed