SCHEMBL10877974

SCHEMBL10877974

CC(C)NCC(O)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ ADRB1 P08588 5/20 0.63
▸ ADRB3 P13945 5/20 0.63
▸ ADRB2 P07550 4/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ OPRK1 P41145 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ RXFP1 Q9HBX9 2/20 0.58
▸ LMNA P02545 1/20 0.56
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.54

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
Hydrochloric Acid SCHEMBL10880277 0.99 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10881343 0.91 ADRB1 (0.71) MEN1KMT2AADRB1ADRB3ADRB2
SCHEMBL10814305 0.86 ADRB2 (0.78) MEN1KMT2AADRB1ADRB3ADRB2
SCHEMBL10814431 0.86 ADRB2 (0.78) MEN1KMT2AADRB1ADRB3ADRB2
SCHEMBL10814311 0.86 ADRB2 (0.78) MEN1KMT2AADRB1ADRB3ADRB2
Ronactolol SCHEMBL1254628 0.85 ADRB2 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10877050 0.85 KMT2A (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10877118 0.85 ADRB2 (0.70) MEN1KMT2AADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL11684567 0.85 ADRB2 (0.76) MEN1KMT2AADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL11593853 0.85 ADRB2 (0.76) MEN1KMT2AADRB1ADRB3ADRB2

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
EP-0100051-B1 NEW DERIVATIVES OF 1-ALKYLAMINE-(4(P-ALKYLOXY-BENZAMIDE)PHENOXY)-2-PROPANOL, HAVING BETA-SYMPATHOLYTIC ACTIVITY, THEIR SALTS, AND PRODUCTION PROCESSES THEREOF A. Menarini S.a.S. (IT) 1986-04-09 — — EP claimed
US-4503075-A ADRENERGIC BLOCKING AGENTS A. MENARINI S.A.S. (IT) 1985-03-05 — — US claimed
US-4497922-A Compositions of materials for forming protective film in semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 1985-02-05 — — US claimed
US-4497922-A Compositions of materials for forming protective film in semiconductor device HITACHI CHEMICAL COMPANY, LTD. (JP) 1985-02-05 — — US disclosed
Send feedback