SCHEMBL7422121

SCHEMBL7422121

COC(CSc1cccc(C)c1)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
ACHE P22303 2/20 0.38
AOC3 Q16853 1/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGFR P43088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 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
SCHEMBL3812917 0.83 MAOA (0.38) MAOAMTNR1AMTNR1BACHEKMT2A
SCHEMBL16295456 0.81 MTNR1A (0.57) MTNR1AMTNR1BACHEALDH1A1
SCHEMBL7214204 0.81 MAOA (0.39) MAOAMTNR1AMTNR1BACHEAOC3
SCHEMBL4392690 0.81 GRM5 (0.40) MAOAMTNR1AMTNR1BAOC3POLB
SCHEMBL3969030 0.81 MAOA (0.63) MAOAMTNR1AMTNR1BRAB9AALDH1A1
SCHEMBL11560772 0.81 MTNR1A (0.40) MAOAMTNR1AMTNR1BACHEALDH1A1
SCHEMBL31181340 0.81 MTNR1A (0.57) MTNR1AMTNR1BACHEALDH1A1
SCHEMBL18739045 0.79 MAOA (0.47) MAOAMTNR1AMTNR1BACHEKMT2A
SCHEMBL3224927 0.79 MAOA (0.55) MAOAMTNR1AMTNR1BNPC1RAB9A
SCHEMBL7423260 0.77 NPC1 (0.39) MAOAKMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed