SCHEMBL7250087

SCHEMBL7250087

[CH2]N1C#CN(c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL1006035 0.72 SIGMAR1 (0.42) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL6098689 0.64 SIGMAR1 (0.39) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL631298 0.59 LMNA (0.54) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL22657654 0.58 USP2 (0.52) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL16924853 0.58 LMNA (0.67) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL385012 0.58
SCHEMBL576814 0.58 LMNA (0.67) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL164538 0.58 LMNA (0.67) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL576454 0.58 LMNA (0.67) CHRNA7CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL9360920 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514988-B1 A pregnancy controlling agent and a menstrual cycle controlling agent; useful as an agent of spawning promotion in fish TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-04 US disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed
US-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed