SCHEMBL11801474

SCHEMBL11801474

C1=Nc2ccccc2C1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
KCNQ2 O43526 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
CALM1 P0DP23 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KDM1A O60341 2/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL5078595 0.73 PDE7A (0.31)
SCHEMBL29051906 0.68 APEX1 (0.35) ALDH1A1
SCHEMBL4797712 0.65 CYP19A1 (0.33) OPRM1OPRK1OPRL1P2RX1P2RX3
SCHEMBL28886117 0.64
SCHEMBL29639106 0.64 HTR5A (0.35) NPSR1
SCHEMBL926937 0.64 HTR5A (0.35) NPSR1
SCHEMBL28806304 0.63 P2RX1 (0.35) TSHROPRM1OPRK1OPRL1P2RX1
SCHEMBL28706011 0.63
SCHEMBL299428 0.63 ALDH1A1 (0.38) MAOAMAOBNPSR1CALM1ALDH1A1
SCHEMBL9364337 0.63 ADORA3 (0.34)

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-3970461-A Fogged, direct-positive silver halide emulsion containing carbocyanine dye having indolenine nucleus FUJI PHOTO FILM CO., LTD. (JA) 1976-07-20 US claimed
US-3970461-A Fogged, direct-positive silver halide emulsion containing carbocyanine dye having indolenine nucleus FUJI PHOTO FILM CO., LTD. (JA) 1976-07-20 US disclosed