SCHEMBL18947792

SCHEMBL18947792

O=C(O)[C@H]1CC1c1ccc(Br)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.47
HDAC4 P56524 1/20 0.40
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
CYP3A4 P08684 1/20 0.38
NAMPT P43490 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
DEGS1 O15121 1/20 0.37
GRM1 Q13255 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL15150028 1.00 FFAR1 (0.47) FFAR1HDAC4CYP4F2CYP4A11CYP3A4
SCHEMBL3882027 1.00 FFAR1 (0.47) FFAR1HDAC4CYP4F2CYP4A11CYP3A4
Hydrochloric Acid SCHEMBL527971 0.98 FFAR1 (0.46) FFAR1HDAC4CYP4F2CYP4A11CYP3A4
Hydrochloric Acid SCHEMBL527972 0.98 FFAR1 (0.46) FFAR1HDAC4CYP4F2CYP4A11CYP3A4
SCHEMBL18923908 0.85 FAAH (0.40) HDAC4CYP3A4NAMPTGRM1HRH3
SCHEMBL3881829 0.81 IDO1 (0.40)
SCHEMBL23994457 0.81 FFAR1 (0.55) FFAR1
SCHEMBL30181805 0.81 FFAR1 (0.55) FFAR1
SCHEMBL25004996 0.81 FFAR1 (0.55) FFAR1
SCHEMBL18541309 0.80 CYP3A4 (0.55) FFAR1CYP4F2CYP4A11CYP3A4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676701-B2 Cyclopropylamine derivatives useful as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2017-06-13 US disclosed
US-9676701-B2 Cyclopropylamine derivatives useful as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2017-06-13 US disclosed