Abanoquil

SCHEMBL8856969

COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2.COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2.O.O=C(O)C=CC(=O)O

nearest known ligand 0.80

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ATP4A ATP4B AXL BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CHRM2 CHRM3 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 FLT3 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 KCNH2 KMT2A MAP2K1 MAP2K2 MEN1 MLNR MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PLK4 PPARG REN S1PR1 SLC6A2 SLC6A3 SLC6A4 SMO TYK2 atpA atpB atpC atpD atpE atpF atpFH atpG pol

The experimentally established mechanism targets of Abanoquil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADRA1D known ✓	P25100	1/20	0.80

▸	ADRA1A known ✓	P35348	1/20	0.80

▸	ADRA1B known ✓	P35368	1/20	0.80

▸	KMT2A known ✓	Q03164	1/20	0.48

▸	MAOB	P27338	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.

Compound	similarity	top predicted	shared targets
Abanoquil SCHEMBL528781	0.89	ADRA1D (1.00)	ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL29711625	0.87	ADRA1D (0.85)	ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL3672975	0.87	ADRA1D (0.85)	ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL9669562	0.85	ADRA1D (0.87)	ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL9669522	0.85	ADRA1D (0.87)	ADRA1DADRA1AADRA1BKMT2AMAOB
Hydrochloric Acid SCHEMBL9670264	0.85	ADRA1D (0.85)	ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL9669930	0.80	ADRA1D (0.76)	ADRA1DADRA1AADRA1BKMT2A
SCHEMBL9667835	0.80	ADRA1D (0.76)	ADRA1DADRA1AADRA1BKMT2A
SCHEMBL31187503	0.73	ADRA1D (0.59)	ADRA1DADRA1AADRA1B
SCHEMBL24177242	0.72	ADRA1D (0.68)	ADRA1DADRA1AADRA1B

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5610174-A	Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence	SYNAPTIC PHARMACEUTICAL CORPORATION (US)	1997-03-11	—	—	US	disclosed