SCHEMBL11613112

SCHEMBL11613112

[CH2]CC(O)C(F)(F)Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.42
▸ HTR3B O95264 3/20 0.42
▸ HTR3A P46098 3/20 0.42
▸ HTR3D Q70Z44 3/20 0.42
▸ HTR3C Q8WXA8 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PNMT P11086 2/20 0.41
▸ CETP P11597 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ AGXT P21549 1/20 0.38

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
SCHEMBL11514157 0.81 CETP (0.48) PNMTCETPTAAR1KMT2ALMNA
SCHEMBL11517656 0.81 TSHR (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11665877 0.80 TAAR1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11613866 0.80 TRPA1 (0.42) TSHRCETPTAAR1KMT2ALMNA
SCHEMBL11611733 0.78 TAAR1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11664309 0.78 PNMT (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11515564 0.77 TSHR (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10451551 0.74 PNMT (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11615168 0.72 CYP3A4 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24863785 0.71 PNMT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C

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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