SCHEMBL11445595

SCHEMBL11445595

CCCC(=O)c1ccc(C2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.55
▸ QDPR P09417 2/20 0.54
▸ SIGMAR1 Q99720 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ HSD17B3 P37058 1/20 0.46
▸ DRD2 P14416 2/20 0.45
▸ USP5 P45974 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL11444261 0.88 QDPR (0.56) MCHR1QDPRSIGMAR1ALDH1A1LMNA
SCHEMBL31073538 0.85 MCHR1 (0.53) MCHR1SIGMAR1ALDH1A1LMNARAD52
SCHEMBL11562993 0.84 DRD2 (0.49) MCHR1SIGMAR1ALDH1A1LMNARAD52
SCHEMBL7287663 0.82 QDPR (0.62) MCHR1QDPRALDH1A1LMNA
SCHEMBL31073611 0.81 QDPR (0.52) MCHR1QDPRLMNAHSD17B3
SCHEMBL7230489 0.80 QDPR (0.60) MCHR1QDPRALDH1A1
SCHEMBL11465783 0.80 HAO1 (0.60) ALDH1A1LMNARAD52SMN1; SMN2HSD17B3
SCHEMBL11444260 0.79 QDPR (0.56) MCHR1QDPRSMN1; SMN2NAMPT
SCHEMBL31073554 0.79 MGLL (0.65) LMNA
SCHEMBL11439049 0.79 QDPR (0.59) MCHR1QDPRSIGMAR1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 — — US disclosed
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