SCHEMBL11346993

SCHEMBL11346993

[CH]1CCCCCC1NCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.59
GRIN2B Q13224 5/20 0.51
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 3/20 0.46
EPHX2 P34913 2/20 0.46
TSHR P16473 2/20 0.46
ALOX12 P18054 2/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KDM1A O60341 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL10586017 0.81 GRIN2B (0.50) GRIN2BOPRM1OPRL1NPC1RAB9A
SCHEMBL1240954 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL21792273 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL5332051 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL25002632 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL24075499 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL3665298 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL24767088 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL22216853 0.81 TAAR1 (0.84) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2
SCHEMBL3907332 0.79 TAAR1 (0.81) TAAR1GRIN2BOPRM1OPRL1SMN1; SMN2

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 US disclosed