SCHEMBL11613933

SCHEMBL11613933

[CH2]CCC(C)(C)Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ TAAR1 Q96RJ0 4/20 0.42
▸ MAOB P27338 8/20 0.41
▸ RIPK1 Q13546 1/20 0.39
▸ MIF P14174 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 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
SCHEMBL7766359 0.85 TAAR1 (0.49) IDO1AGXTTAAR1MAOBRIPK1
SCHEMBL22877828 0.81 RIPK1 (0.41) IDO1AGXTTAAR1MAOBRIPK1
SCHEMBL11613291 0.81 IDO1 (0.46) IDO1AGXTTAAR1MAOBMIF
SCHEMBL11966955 0.80 RIPK1 (0.49) IDO1AGXTTAAR1MAOBRIPK1
SCHEMBL11616015 0.80 IDO1 (0.50) IDO1TAAR1MAOBMIFALDH1A1
SCHEMBL22905226 0.79 TAAR1 (0.44) IDO1AGXTTAAR1MAOBRIPK1
SCHEMBL27962022 0.79 TAAR1 (0.53) IDO1AGXTTAAR1MAOBRIPK1
SCHEMBL11612653 0.78 IDO1 (0.37) IDO1AGXTTAAR1RIPK1ALDH1A1
SCHEMBL73801 0.77 TAAR1 (0.50) IDO1AGXTTAAR1MAOBRIPK1
Ammonia Solution, Strong SCHEMBL27962023 0.76 TAAR1 (0.48) IDO1AGXTTAAR1MAOBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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