SCHEMBL8465634

SCHEMBL8465634

COc1cccc(C[CH]Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
CHRM2 P08172 4/20 0.51
CHRM1 P11229 3/20 0.51
CHRM3 P20309 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
CMA1 P23946 1/20 0.50
MAOB P27338 2/20 0.49
AOC3 Q16853 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPO P22079 1/20 0.47

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
SCHEMBL8305017 0.84 TAAR1 (0.58) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL248658 0.82 CHRM2 (0.57) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL3503547 0.82 TAAR1 (0.56) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL6202449 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL7481915 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL23617138 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL29382328 0.81 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2091147 0.81 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL28230126 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8345177 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886043-A ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS BAYER CORPORATION (US) 1999-03-23 US claimed
US-5886022-A TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5861428-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO BAYER CORPORATION (US) 1999-01-19 US disclosed
US-5861427-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, CONDITIONS LEADING TO INFLAMMATORY BAYER HEALTHCARE LLC 1999-01-19 US disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed