SCHEMBL9832282

SCHEMBL9832282

Cc1ccc(N2CCC(=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
ALOX5 P09917 1/20 0.46
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL21262494 0.89 ADRB1 (0.44) ADRB1ALOX5F2ELANECTSG
SCHEMBL759560 0.88 ADRB1 (0.55) ADRB1ALOX5F2ELANECTSG
SCHEMBL568685 0.80 MAOB (0.49) AKR1C3MAPTALDH1A1LMNAMAOB
SCHEMBL10407318 0.80 AKR1C3 (0.41) MEN1KMT2AAKR1C3MGLLMAPT
SCHEMBL7983473 0.80 MAPT (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10407582 0.80 ALDH1A1 (0.46) ALOX5KMT2AMAPTALDH1A1LMNA
SCHEMBL10408293 0.80 HTR3E (0.47) ADRB1ALOX5MEN1KMT2AAKR1C3
SCHEMBL9829333 0.79 POLB (0.53) ADRB1MEN1KMT2AAKR1C3MGLL
SCHEMBL10408416 0.79 ADRB1 (0.51) ADRB1CTSGCMA1MEN1KMT2A
SCHEMBL1953072 0.79 MEN1 (0.45) ADRB1ALOX5MEN1KMT2AMAPT

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
WO-2022095989-A1 P300 INHIBITORS AND USE THEREOF IN MEDICINE 贝达药业股份有限公司 2022-05-12 WO disclosed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed