SCHEMBL11348653

SCHEMBL11348653

CCCN(Cc1ccccc1)c1ccccc1C(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ CRHR1 P34998 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT8 Q9NR22 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NR3C1 P04150 2/20 0.36

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
SCHEMBL11308287 0.75 TSHR (0.38) TSHRCYP2D6NPSR1SLC6A2SLC6A3
SCHEMBL9749583 0.74 TSHR (0.50) TSHRAOC3CYP2C19NR3C1
SCHEMBL11306094 0.74 TSHR (0.54) TSHRAOC3CYP2C19NR3C1
SCHEMBL1533790 0.74 TSHR (0.48) TSHRCYP2D6NPSR1SLC6A2SLC6A4
SCHEMBL11160283 0.72 NR3C1 (0.43) TSHRCYP2D6NPSR1L3MBTL1SLC6A2
SCHEMBL11315361 0.71 TSHR (0.47) TSHRL3MBTL1CYP2C19NR3C1ATM
SCHEMBL659227 0.71 CRHR1 (0.36) TSHRCYP2D6SIGMAR1CRHR1NPSR1
SCHEMBL641218 0.71 TSHR (0.70) TSHRCYP2D6TAAR1SLC6A3AOC3
SCHEMBL23193646 0.70 GABRA1 (0.36) TSHRCYP2D6SIGMAR1CRHR1NPSR1
SCHEMBL5406966 0.70 NR3C1 (0.42) TSHRNPSR1L3MBTL1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
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