SCHEMBL11613291

SCHEMBL11613291

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.46
▸ AGXT P21549 2/20 0.46
▸ TAAR1 Q96RJ0 4/20 0.43
▸ MAOB P27338 7/20 0.42
▸ MIF P14174 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ DBH P09172 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
SCHEMBL11615174 0.81 IDO1 (0.53) IDO1TAAR1MAOBMIFALDH1A1
SCHEMBL11613933 0.81 IDO1 (0.44) IDO1AGXTTAAR1MAOBMIF
SCHEMBL11615168 0.81 CYP3A4 (0.44) IDO1AGXTTAAR1MAOBCHRM2
SCHEMBL11616310 0.79 SLC6A2 (0.40) IDO1TAAR1MAOBALDH1A1SMN1; SMN2
SCHEMBL11611424 0.77 IDO1 (0.38) IDO1AGXTTAAR1MAOBMIF
SCHEMBL3647842 0.77 TAAR1 (0.52) IDO1AGXTTAAR1MAOBMIF
SCHEMBL11515144 0.74 TAAR1 (0.42) IDO1AGXTTAAR1MAOBMIF
SCHEMBL17288527 0.74 CYP1A2 (0.44) SLC6A3
SCHEMBL1044897 0.72 TAAR1 (0.63) IDO1AGXTTAAR1MAOBMIF
SCHEMBL7766359 0.72 TAAR1 (0.49) IDO1AGXTTAAR1MAOBALDH1A1

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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