SCHEMBL7000086

SCHEMBL7000086

N#Cc1ccc2ccn(CC3CCN(CCCc4ccccc4)C3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
PRMT5 O14744 1/20 0.43
P2RX7 Q99572 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CCR3 P51677 2/20 0.42
OPRM1 P35372 2/20 0.42
ARRB1 P49407 1/20 0.42
USP2 O75604 2/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40

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 SCHEMBL7951962 0.99 DRD2 (0.51) DRD2DRD3ALDH1A1TSHRHSD17B10
SCHEMBL7002079 0.94 DRD2 (0.50) DRD2DRD3ALDH1A1TSHRHSD17B10
SCHEMBL6994174 0.93 DRD2 (0.51) DRD2DRD3PRMT5P2RX7SIGMAR1
Hydrochloric Acid SCHEMBL7952278 0.93 DRD2 (0.49) DRD2DRD3ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL7952452 0.92 DRD2 (0.50) DRD2DRD3PRMT5P2RX7SIGMAR1
SCHEMBL6993372 0.88 ALDH1A1 (0.48) DRD2DRD3ALDH1A1TSHRHSD17B10
SCHEMBL6998550 0.87 DRD2 (0.49) DRD2DRD3ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL7950497 0.87 ALDH1A1 (0.47) DRD2DRD3ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL7950663 0.86 DRD2 (0.48) DRD2DRD3PRMT5P2RX7CCR3
SCHEMBL6991629 0.85 HRH3 (0.51) DRD2DRD3ALDH1A1TSHRHSD17B10

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-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 EP disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 EP disclosed